SCHEMBL30956469

SCHEMBL30956469

COC(=O)c1ccccc1-c1nc(Nc2cnn(C3CC(F)(F)C3)c2)ncc1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.42
JAK2 O60674 11/20 0.42
JAK1 P23458 9/20 0.42
TYK2 P29597 4/20 0.42
FLT4 P35916 1/20 0.41
IGF1R P08069 2/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
CDK8 P49336 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
KCNH2 Q12809 1/20 0.40
NUAK1 O60285 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30956516 0.91 JAK2 (0.46) JAK3JAK2JAK1TYK2FLT4
SCHEMBL30956450 0.90 JAK3 (0.51) JAK3JAK2JAK1TYK2FLT4
SCHEMBL30956606 0.89 JAK1 (0.44) JAK3JAK2JAK1TYK2FLT4
SCHEMBL30956426 0.88 FLT4 (0.46) JAK3JAK2JAK1TYK2FLT4
SCHEMBL30956532 0.88 JAK2 (0.46) JAK3JAK2JAK1TYK2FLT4
SCHEMBL30956612 0.88 JAK3 (0.49) JAK3JAK2JAK1TYK2FLT4
SCHEMBL30956432 0.87 IGF1R (0.46) JAK3JAK2JAK1TYK2FLT4
SCHEMBL30956543 0.86 FLT4 (0.54) JAK3JAK2JAK1TYK2FLT4
SCHEMBL30956526 0.86 JAK3 (0.47) JAK3JAK2JAK1TYK2FLT4
Hydrochloric Acid SCHEMBL30956501 0.85 NUAK1 (0.55) JAK3JAK2JAK1TYK2FLT4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118999-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-12-13 CN disclosed
CN-118955477-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-15 CN disclosed
CN-118903141-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-118903142-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-113227074-B Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-08-16 CN disclosed
CN-118388457-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 CN disclosed
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed